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The metabolites of a reaction are represented by their primary name as indicated by the pathway database.
Although not used for comparing metabolites, we also retrieved the InChI and SMILES of metabolites, when provided by the pathway database, as additional information.
In addition, the remaining disease-associated genes were searched for genes that had direct interactions with those generated by the pathway database.
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For each gene and metabolite a C2Card provides the identifiers assigned to them by the pathway databases (see Figure 1, and Materials and methods).
For additional information provided by the pathway databases, e.g., pathway visualization and literature references, a direct link is provided to the original entry of the reaction in the pathway database.
Next to exploring the genes, EC numbers, and reactions contained in the pathway databases, as described above, C2Cards can also be of direct use in curating the identifiers (IDs) assigned to the genes and metabolites by the pathway databases.
Only pathways present in MetaCyc can be automatically incorporated into the pathway database by Pathway Tools [ 25].
We then constructed a functional linkage network by integrating the microarray dataset with the pathway database of Kyoto Encyclopedia of Genes and Genomes (KEGG).
The gene regulatory network of BDE47 was constructed on the basis of the information provided by the KEGG pathway database and visualized.
> -wrap-foot> KGML is an XML-based format provided by the KEGG pathway database, defined by a specific Document Template Definition (DTD).
Of these, 97 (28%) were designated as functionally important within molecular interaction networks, as assigned by the KEGG pathway database.
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Justyna Jupowicz-Kozak
CEO of Professional Science Editing for Scientists @ prosciediting.com